4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide

C20H28N4O2S — CID 24818846

IUPAC4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(C)CSC)CC2)cc1
InChIInChI=1S/C20H28N4O2S/c1-15(14-27-3)23-12-9-17(10-13-23)24-19(8-11-21-24)22-20(25)16-4-6-18(26-2)7-5-16/h4-8,11,15,17H,9-10,12-14H2,1-3H3,(H,22,25)
InChIKeyDMTYRECJOFDUEU-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.53
Rot. Bonds7

About 4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24818846) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24818846
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(C)CSC)CC2)cc1
InChIInChI=1S/C20H28N4O2S/c1-15(14-27-3)23-12-9-17(10-13-23)24-19(8-11-21-24)22-20(25)16-4-6-18(26-2)7-5-16/h4-8,11,15,17H,9-10,12-14H2,1-3H3,(H,22,25)
InChIKeyDMTYRECJOFDUEU-UHFFFAOYSA-N
XLogP3.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 135753063
4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322
N-{1-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790783
N-{1-[1-(4-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24791108
N-[2-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 24791138
N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}-1,3-benzodioxole-5-carboxamide
CID 24791191
4-methoxy-N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791316
N-{1-[1-(3-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24791326
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 24792026

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24818846) is 4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(C(C)CSC)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is DMTYRECJOFDUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-15(14-27-3)23-12-9-17(10-13-23)24-19(8-11-21-24)22-20(25)16-4-6-18(26-2)7-5-16/h4-8,11,15,17H,9-10,12-14H2,1-3H3,(H,22,25).
What are the key properties of 4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 388.54 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24818846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).